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Dmitry Lupyan
Publication Activity (10 Years)
Years Active: 2005-2019
Publications (10 Years): 1
Top Topics
Force Field
Information Theory
Gradient Vector Flow
Active Contour Model
Top Venues
J. Comput. Aided Mol. Des.
J. Chem. Inf. Model.
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Publications
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Haoyu S. Yu
,
Cen Gao
,
Dmitry Lupyan
,
Yujie Wu
,
Takayuki Kimura
,
Chuanjie Wu
,
Leif D. Jacobson
,
Edward Harder
,
Robert Abel
,
Lingle Wang
Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics.
J. Chem. Inf. Model.
59 (9) (2019)
Dmitry Lupyan
,
Yuriy A. Abramov
,
Woody Sherman
Erratum to: Close intramolecular sulfur-oxygen contacts: modified force field parameters for improved conformation generation.
J. Comput. Aided Mol. Des.
27 (3) (2013)
Dmitry Lupyan
,
Yuriy A. Abramov
,
Woody Sherman
Close intramolecular sulfur-oxygen contacts: modified force field parameters for improved conformation generation.
J. Comput. Aided Mol. Des.
26 (11) (2012)
Dmitry Lupyan
,
Alejandra Leo-Macias
,
Angel R. Ortiz
A new progressive-iterative algorithm for multiple structure alignment.
Bioinform.
21 (15) (2005)